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4649-06-3 | 6-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-HEXANOIC ACID
CAS No: 4649-06-3 Catalog No: AG00D8KK MDL No:MFCD00449878
Product Description
Catalog Number:
AG00D8KK
Chemical Name:
6-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-HEXANOIC ACID
CAS Number:
4649-06-3
Molecular Formula:
C9H13NO3S2
Molecular Weight:
247.3344
MDL Number:
MFCD00449878
IUPAC Name:
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
InChI:
InChI=1S/C9H13NO3S2/c11-7-6-15-9(14)10(7)5-3-1-2-4-8(12)13/h1-6H2,(H,12,13)
InChI Key:
IRBFCXHIPZRVJO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)CSC1=S
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.327g/mol
Monoisotopic Mass:
247.034g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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